============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 7 1.000 -11.121 21.250 56.104 -99.200 -91.000 PHE 27 1.000 -9.717 14.140 47.255 -99.200 -91.000 PHE 32 1.000 -11.638 16.945 41.921 -99.200 -91.000 PHE 39 1.000 0.771 15.593 60.569 -99.200 -91.000 HIS 46 0.900 -9.821 24.769 64.292 -99.200 -91.000 HIS 50 0.900 -14.745 20.621 60.623 -99.200 -91.000 TYR 51 0.840 -16.577 17.267 63.159 -99.200 -91.000 PHE 59 1.000 -22.832 11.996 65.689 -99.200 -91.000 PHE 60 1.000 -20.079 18.454 69.472 -99.200 -91.000 TYR 66 0.840 -11.971 9.815 65.192 -99.200 -91.000 TRP 77 1.040 -7.490 18.024 47.844 -99.200 -91.000 TRP6 77 1.020 -5.787 17.337 46.346 -99.200 -91.000 PHE 107 1.000 -7.376 2.656 51.242 -99.200 -91.000 HIS 117 0.900 -15.467 17.183 57.169 -99.200 -91.000 TRP 132 1.040 -10.646 23.078 59.727 -99.200 -91.000 TRP6 132 1.020 -9.455 21.498 61.007 -99.200 -91.000 PHE 133 1.000 -6.116 25.002 55.072 -99.200 -91.000 TYR 141 0.840 -0.711 24.925 42.288 -99.200 -91.000 HIS 146 0.900 -7.347 24.284 34.428 -99.200 -91.000 TRP 148 1.040 -3.306 18.360 27.627 -99.200 -91.000 TRP6 148 1.020 -4.026 17.890 25.432 -99.200 -91.000 TYR 150 0.840 -11.217 21.462 34.896 -99.200 -91.000